methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate

C24H31N3O5 — CID 56527077

IUPACmethyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate
SMILESCCN(CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)CC(C)C(=O)OC
InChIInChI=1S/C24H31N3O5/c1-5-27(16-17(2)24(30)32-4)15-14-22(28)25-19-12-10-18(11-13-19)23(29)26-20-8-6-7-9-21(20)31-3/h6-13,17H,5,14-16H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyCWZHJDSKMNYGOL-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.41
Rot. Bonds11

About methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate

methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate (PubChem CID 56527077) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate
PubChem CID56527077
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Namemethyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate
SMILESCCN(CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)CC(C)C(=O)OC
InChIInChI=1S/C24H31N3O5/c1-5-27(16-17(2)24(30)32-4)15-14-22(28)25-19-12-10-18(11-13-19)23(29)26-20-8-6-7-9-21(20)31-3/h6-13,17H,5,14-16H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyCWZHJDSKMNYGOL-UHFFFAOYSA-N
XLogP3.41
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 56526790
N-(2-methoxyphenyl)-4-[3-(N-methylanilino)propanoylamino]benzamide
CID 52546324
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 56525116
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
CID 9029476
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-4-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8898758
4-[3-(2-bromophenyl)sulfanylpropanoylamino]-N-(2-methoxyphenyl)benzamide
CID 55538942
N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide
CID 56527051
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate (CID 56527077) is methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate is CCN(CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate?
The InChIKey is CWZHJDSKMNYGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-5-27(16-17(2)24(30)32-4)15-14-22(28)25-19-12-10-18(11-13-19)23(29)26-20-8-6-7-9-21(20)31-3/h6-13,17H,5,14-16H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate?
methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate has a molecular weight of 441.53 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate is sourced from PubChem (CID 56527077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).